Geometry & MOs

Info

ID:	160474
PubChem CID:	57309822
Reduced:	NO10C14H27 (1)
Stoich.:	AB10C14D27 (1)
Weight, g/mol:	402.121572
ΔH_f, kcal/mol:	-459.06
Dipole, Da:	4.73
IP(EA), eV:	-10.0(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]-5-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCO[C@@H]1[C@]([C@H]([C@H]([C@H](O1)CO)O)O)([C@@]2([C@@H](CO[C@@H]([C@H]2O)CO)N)O)O

DOS

IR

Vibrations